SCHEMBL5490063

SCHEMBL5490063

C=CC(=O)OCCCCC(=O)OC(=O)CCCC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.68
HPGD P15428 1/20 0.68
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 1/20 0.58
ATM Q13315 1/20 0.47
NAAA Q02083 1/20 0.46
DGKA P23743 1/20 0.46
HCAR2 Q8TDS4 3/20 0.45
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
MAPT P10636 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5487927 0.95 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5490060 0.91 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL2610341 0.90 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5487925 0.90 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5489820 0.88 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL27887845 0.87 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10426125 0.87 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL27941343 0.87 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL13779732 0.87 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL2610337 0.86 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072124-A1 Optical recording composition, production method thereof and optical recording medium FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed